3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide

C22H21N5O2 — CID 126469260

IUPAC3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(-c2cn3c4c(nnc3n2)CCCC4)cc1
InChIInChI=1S/C22H21N5O2/c28-21(12-11-17-4-3-13-29-17)23-16-9-7-15(8-10-16)19-14-27-20-6-2-1-5-18(20)25-26-22(27)24-19/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,23,28)
InChIKeyAWCNFIQZAKQTHM-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.83
Rot. Bonds5

About 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide

3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide (PubChem CID 126469260) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide
PubChem CID126469260
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(-c2cn3c4c(nnc3n2)CCCC4)cc1
InChIInChI=1S/C22H21N5O2/c28-21(12-11-17-4-3-13-29-17)23-16-9-7-15(8-10-16)19-14-27-20-6-2-1-5-18(20)25-26-22(27)24-19/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,23,28)
InChIKeyAWCNFIQZAKQTHM-UHFFFAOYSA-N
XLogP3.83
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide (CID 126469260) is 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide is O=C(CCc1ccco1)Nc1ccc(-c2cn3c4c(nnc3n2)CCCC4)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide?
The InChIKey is AWCNFIQZAKQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-21(12-11-17-4-3-13-29-17)23-16-9-7-15(8-10-16)19-14-27-20-6-2-1-5-18(20)25-26-22(27)24-19/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,23,28).
What are the key properties of 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide?
3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide is sourced from PubChem (CID 126469260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).